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	hartrees
Energy at 0K	-2855.736130
Energy at 298.15K	-2855.741228
HF Energy	-2855.736130
Nuclear repulsion energy	328.282934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1761	1734	297.45
2	A'	1298	1278	284.42
3	A'	786	774	153.72
4	A'	703	693	2.64
5	A'	462	455	63.28
6	A'	358	353	19.54
7	A'	187	184	0.25
8	A"	686	675	6.75
9	A"	128	126	0.39

Atom	x (Å)	y (Å)
Br1	-1.192	-0.484
O2	0.000	0.913
N3	1.500	0.482
O4	2.169	1.469
O5	1.735	-0.684

	Br1	O2	N3	O4	O5
Br1		1.8366	2.8600	3.8875	2.9343
O2	1.8366		1.5601	2.2390	2.3580
N3	2.8600	1.5601		1.1925	1.1896
O4	3.8875	2.2390	1.1925		2.1962
O5	2.9343	2.3580	1.1896	2.1962

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br1	O2	N3	114.458		O2	N3	O4	108.119
O2	N3	O5	117.447		O4	N3	O5	134.434

All results from a given calculation for BrONO₂ (Bromine nitrate)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Br	0.294
2	O	-0.500
3	N	1.078
4	O	-0.442
5	O	-0.430

	x	y	z	Total
	-0.744	-0.807	0.000	1.097
CHELPG
AIM
ESP

	x	y	z
x	10.562	1.740	0.000
y	1.740	7.575	0.000
z	0.000	0.000	4.924

<r²>	189.303
(<r²>)^1/2	13.759

All results from a given calculation for BrONO2 (Bromine nitrate)

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

All results from a given calculation for BrONO₂ (Bromine nitrate)